2-[[butyl(methyl)azaniumyl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[butyl(methyl)azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[butyl(methyl)ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[butyl(methyl)ammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[butyl(methyl)azaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[butyl(methyl)ammonio]methyl]-4-nitro-phenolate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H18N2O3/c1-3-4-7-13(2)9-10-8-11(14(16)17)5-6-12(10)15/h5-6,8,15H,3-4,7,9H2,1-2H3